Vitas-M small molecule compound
ethyl 2-{[N-(methylsulfonyl)-N-phenylalanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK327789
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)C(N(S(=O)(=O)C)c1ccccc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H26N2O5S2 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O5S2/c1-4-28-21(25)18-16-12-8-9-13-17(16)29-20(18)22-19(24)14(2)23(30(3,26)27)15-10-6-5-7-11-15/h5-7,10-11,14H,4,8-9,12-13H2,1-3H3,(H,22,24)InChIKey
BCENLJBIGZDBTP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N(C3=CC=CC=C3)S(=O)(=O)C
ethyl2((N(methylsulfonyl)Nphenylalanyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(Nmethylsulfonylanilino)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H26N2O5S2c142821(25)181612891317(16)2920(18)2219(24)14(2)23(30(326)27)15106571115h57101114H4891213H213H3(H2224)
MFCD03838731
ZINC000000628637
ZINC000000628638
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